Geometry & MOs

Info

ID:	346824
PubChem CID:	127271328
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-158.39
Dipole, Da:	4.82
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)C(C)N2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations